3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid

C14H19FN2O3 — CID 122015949

IUPAC3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid
SMILESCc1ccc([C@@H](C)NC(=O)N(C)CCC(=O)O)cc1F
InChIInChI=1S/C14H19FN2O3/c1-9-4-5-11(8-12(9)15)10(2)16-14(20)17(3)7-6-13(18)19/h4-5,8,10H,6-7H2,1-3H3,(H,16,20)(H,18,19)/t10-/m1/s1
InChIKeyLTDMFAOZCJECCU-SNVBAGLBSA-N
MW282.31 g/mol
LogP2.31
Rot. Bonds5

About 3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid

3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid (PubChem CID 122015949) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid
PubChem CID122015949
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid
SMILESCc1ccc([C@@H](C)NC(=O)N(C)CCC(=O)O)cc1F
InChIInChI=1S/C14H19FN2O3/c1-9-4-5-11(8-12(9)15)10(2)16-14(20)17(3)7-6-13(18)19/h4-5,8,10H,6-7H2,1-3H3,(H,16,20)(H,18,19)/t10-/m1/s1
InChIKeyLTDMFAOZCJECCU-SNVBAGLBSA-N
XLogP2.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032695
2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 113427810
3-[methyl-[1-(4-pyridin-4-ylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122004708
3-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122002190
3-[[(1S)-1-(2,5-dichlorophenyl)ethyl]carbamoyl-methylamino]propanoic acid
CID 122010888
3-[methyl-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethylcarbamoyl]amino]propanoic acid
CID 122000527
3-[methyl-[[(1S)-1-(2-methylsulfanylphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122013272
(2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
CID 124689942
(2R)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
CID 124695556
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108
3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
CID 18526009
3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide
CID 106113187

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid (CID 122015949) is 3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid is Cc1ccc([C@@H](C)NC(=O)N(C)CCC(=O)O)cc1F.
What is the InChIKey of 3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid?
The InChIKey is LTDMFAOZCJECCU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-9-4-5-11(8-12(9)15)10(2)16-14(20)17(3)7-6-13(18)19/h4-5,8,10H,6-7H2,1-3H3,(H,16,20)(H,18,19)/t10-/m1/s1.
What are the key properties of 3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid?
3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid has a molecular weight of 282.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 122015949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).